2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C18H20N6O5/c1-9-6-7-12(24(28)29)13(10(9)2)20-16(25)11(3)23-8-19-15-14(23)17(26)22(5)18(27)21(15)4/h6-8,11H,1-5H3,(H,20,25)